AI-889/36270005
TL;DR: AI-889/36270005 (CAS 353268-92-5) is a chemical compound with molecular formula C31H40N2O4 and molecular weight 504.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(N,N'-dicyclohexylcarbamimidoyl) 1-O-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate
Also Known As: AI-889/36270005, methyl 2-{[(cyclohexylamino)(cyclohexylimino)methoxy]carbonyl}-6,8,10-trimethyl-1-heptalenecarboxylate, 2-O-(N,N'-dicyclohexylcarbamimidoyl) 1-O-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate
| Molecular Formula | C31H40N2O4 |
|---|---|
| Molecular Weight | 504.30 g/mol |
| LogP | 6.3291 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.2988 |
| Heavy Atoms | 37 |
| Complexity | 1133.7032 |
Chemical Identifiers
| CAS Number | 353268-92-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=CC=CC(=C2C(=O)OC)C(=O)OC(=NC3CCCCC3)NC4CCCCC4)C(=C1)C)C |
Product Overview
AI-889/36270005 (CAS 353268-92-5), with molecular formula C31H40N2O4 and molecular weight 504.30 g/mol. IUPAC: 2-O-(N,N'-dicyclohexylcarbamimidoyl) 1-O-methyl 6,8,10-trimethylheptalene-1,2-dicarboxylate.
Chemical Property Profile of AI-889/36270005
Property Insights of AI-889/36270005
The XLogP value of 6.3291 indicates that AI-889/36270005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-889/36270005. Following Lipinski's Rule of Five, AI-889/36270005 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-889/36270005?
The CAS number of AI-889/36270005 is 353268-92-5.
What is the molecular formula of AI-889/36270005?
The molecular formula of AI-889/36270005 is C31H40N2O4.
What is the molecular weight of AI-889/36270005?
The molecular weight of AI-889/36270005 is 504.30 g/mol.
Where can I buy AI-889/36270005?
You can request a quote for AI-889/36270005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-889/36270005?
Yes, KEHONG BIO provides custom synthesis services for AI-889/36270005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.